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2-[cyanomethyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]ethanenitrile

2-[cyanomethyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]ethanenitrile

Systemtic Name:2-[cyanomethyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]ethanenitrile
Openeye Name:2-[cyanomethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]acetonitrile
CAS Name:2-[cyanomethyl-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]acetonitrile
IUPAC Name:2-[cyanomethyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]acetonitrile
Traditional Name:2-[cyanomethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]acetonitrile
Formula: C12H13N7O3
MolecularWeight: 303.27672
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


InChI

InChI=1S/C12H13N7O3/c13-1-3-17(4-2-14)11-10(19(20)21)12(16-9-15-11)18-5-7-22-8-6-18/h9H,3-8H2


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